Detailed information for compound 103508

Basic information

Technical information
  • TDR Targets ID: 103508
  • Name: N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonami de
  • MW: 251.305 | Formula: C11H13N3O2S
  • H donors: 2 H acceptors: 3 LogP: 1.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1ccccc1)NCCc1c[nH]cn1
  • InChi: 1S/C11H13N3O2S/c15-17(16,11-4-2-1-3-5-11)14-7-6-10-8-12-9-13-10/h1-5,8-9,14H,6-7H2,(H,12,13)
  • InChiKey: JEYJVHROJCJVRV-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-(3H-imidazol-4-yl)ethyl]benzenesulfonamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0051 0.14 0.3271
Brugia malayi prolyl oligopeptidase family protein 0.0014 0.0363 0.0363
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.1666 0.4112
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0051 0.14 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0014 0.0363 0.0363
Echinococcus granulosus prolyl endopeptidase 0.0129 0.3532 0.3532
Schistosoma mansoni tsg101-related 0.0249 0.68 0.8167
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0051 0.14 0.3271
Echinococcus multilocularis acylamino acid releasing enzyme 0.0014 0.0363 0.0363
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Echinococcus multilocularis kelch ECH associated protein 1 0.0093 0.2535 0.2535
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0117 0.3193 0.893
Leishmania major hypothetical protein, conserved 0.0117 0.3193 0.893
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0014 0.0363 0.0436
Trypanosoma cruzi oligopeptidase b 0.0051 0.14 0.3271
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0366 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.1666 0.4112
Brugia malayi prolyl oligopeptidase family protein 0.0014 0.0363 0.0363
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0129 0.3532 0.4242
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0116 0.316 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0129 0.3532 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0014 0.0363 0.0363
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0014 0.0363 0.0436
Leishmania major oligopeptidase b 0.0051 0.14 0.3271
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0014 0.0363 0.0363
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Echinococcus granulosus kelch ECH associated protein 1 like 0.0093 0.2535 0.2535
Giardia lamblia Alanyl dipeptidyl peptidase 0.0014 0.0363 0.5
Entamoeba histolytica hypothetical protein 0.0061 0.1666 0.2024
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0051 0.14 0.3271
Loa Loa (eye worm) hypothetical protein 0.0014 0.0363 0.0363
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0129 0.3532 0.4242
Echinococcus granulosus kelch ECH associated protein 1 like 0.0093 0.2535 0.2535
Loa Loa (eye worm) hypothetical protein 0.0129 0.3532 0.3532
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Giardia lamblia Alanyl dipeptidyl peptidase 0.0014 0.0363 0.5
Plasmodium falciparum peptidase, putative 0.0014 0.0363 0.5
Trypanosoma cruzi prolyl endopeptidase 0.0129 0.3532 1
Echinococcus multilocularis kelch ECH associated protein 1 0.0093 0.2535 0.2535
Echinococcus multilocularis prolyl endopeptidase 0.0129 0.3532 0.3532
Toxoplasma gondii prolyl endopeptidase 0.0129 0.3532 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Loa Loa (eye worm) prolyl oligopeptidase 0.0014 0.0363 0.0363
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0366 1 1
Trichomonas vaginalis hypothetical protein 0.0178 0.4867 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0051 0.14 0.3271
Loa Loa (eye worm) prolyl oligopeptidase 0.0014 0.0363 0.0363
Schistosoma mansoni tsg101-related 0.0304 0.8326 1
Echinococcus granulosus kelch ECH associated protein 1 0.0093 0.2535 0.2535
Entamoeba histolytica hypothetical protein 0.0061 0.1666 0.2024
Loa Loa (eye worm) hypothetical protein 0.0366 1 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0014 0.0363 0.0436
Entamoeba histolytica hypothetical protein 0.0061 0.1666 0.2024
Trypanosoma cruzi oligopeptidase b 0.0051 0.14 0.3271
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0014 0.0363 0.0363
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1666 0.2893
Brugia malayi prolyl oligopeptidase family protein 0.0014 0.0363 0.0363
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1666 0.2893
Trypanosoma brucei UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Schistosoma mansoni tsg101-related 0.0304 0.8326 1
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0363 0.5
Trypanosoma brucei prolyl endopeptidase 0.0129 0.3532 1
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.3532 0.3532
Echinococcus multilocularis Kelch repeat type 1 0.0093 0.2543 0.2543
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0014 0.0363 0.0436
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0117 0.3193 0.893
Echinococcus granulosus acylamino acid releasing enzyme 0.0014 0.0363 0.0363
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0061 0.1666 0.4112
Trypanosoma brucei prolyl oligopeptidase, putative 0.0051 0.14 0.3271
Echinococcus granulosus Dipeptidyl peptidase 9 0.0014 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.0014 0.0363 0.0363
Entamoeba histolytica hypothetical protein 0.0061 0.1666 0.2024
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0051 0.14 0.5
Trypanosoma brucei oligopeptidase b 0.0051 0.14 0.3271
Onchocerca volvulus Prolyl endopeptidase homolog 0.0129 0.3532 1
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0249 0.68 1
Schistosoma mansoni hypothetical protein 0.0093 0.2543 0.3054

Activities

Activity type Activity value Assay description Source Reference
Ka (binding) = 0.21 uM In vitro binding affinity against human carbonic anhydrase I (hCA-I human cloned isozyme). ChEMBL. 10450978
Ka (binding) = 0.21 uM In vitro binding affinity against human carbonic anhydrase I (hCA-I human cloned isozyme). ChEMBL. 10450978
Ka (binding) = 5 uM In vitro inhibitory activity against bovine carbonic anhydrase IV (bCA IV) purified from lung microsomes. ChEMBL. 10450978
Ka (binding) = 5 uM In vitro inhibitory activity against bovine carbonic anhydrase IV (bCA IV) purified from lung microsomes. ChEMBL. 10450978
Ka (binding) = 30 uM In vitro binding affinity against human carbonic anhydrase II (hCA-II human cloned isozyme). ChEMBL. 10450978
Ka (binding) = 30 uM In vitro binding affinity against human carbonic anhydrase II (hCA-II human cloned isozyme). ChEMBL. 10450978

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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